Benzoic acid, 4-amino-2,6-difluoro-, methyl ester (9CI) Chemical Properties

Boiling point:

306℃

Density 

1.355

Flash point:

139℃

storage temp. 

2-8°C(protect from light)

pka

0.44±0.10(Predicted)

Appearance

Gray to brown Solid

Safety Information

RIDADR 

2811

HazardClass 

6.1

PackingGroup 

Ⅲ

HS Code 

2916399090

Benzoic acid, 4-amino-2,6-difluoro-, methyl ester (9CI) Usage And Synthesis

Uses

Benzoic acid, 4-amino-2,6-difluoro-, methyl ester (9CI) can be used as an intermediate in the synthesis of pharmaceuticals for its potential role in the development of new drugs.

Synthesis

Methyl 4-[(tert-butoxycarbonyl)amino]-2,6-difluorobenzoate (36 mg, 0.125 mmol) was used as a starting material and 0.5 mL of trifluoroacetic acid (TFA) was added to its solution in 1 mL of dichloromethane at room temperature. The reaction mixture was stirred for 30 minutes at room temperature. Subsequently, the reaction solution was concentrated under reduced pressure and the residue was co-evaporated with dichloromethane and toluene several times to completely remove the residual trifluoroacetic acid. Finally, the product was dried under reduced pressure. The resulting crude product, methyl 4-amino-2,6-difluorobenzoate (24 mg, quantitative yield), could be used in subsequent reactions without further purification.

References

[1] Patent: US2016/52884, 2016, A1. Location in patent: Paragraph 0677-0680
[2] Patent: KR2015/137095, 2015, A. Location in patent: Paragraph 0902-0905

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